SCHEMBL20148788

SCHEMBL20148788

CC(C)C(O)(c1ccccn1)c1cnccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP19A1 P11511 1/20 0.44
CYP3A4 P08684 7/20 0.42
CYP17A1 P05093 3/20 0.42
AHR P35869 1/20 0.35
CHRM3 P20309 1/20 0.34
KCNA5 P22460 2/20 0.33
SLC22A2 O15244 1/20 0.33
SLC22A1 O15245 1/20 0.33
PGR P06401 1/20 0.33
THRB P10828 1/20 0.33
ADRB3 P13945 1/20 0.33
OPRK1 P41145 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
KCNH2 Q12809 1/20 0.33
PDE3A Q14432 1/20 0.33
SLC47A1 Q96FL8 1/20 0.33
ALOX15 P16050 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16132316 0.88 SMN1; SMN2 (0.59) SMN1; SMN2L3MBTL1CYP3A4CYP17A1AHR
SCHEMBL20148780 0.81 KCNA5 (0.50) SMN1; SMN2L3MBTL1CYP19A1CYP3A4CYP17A1
SCHEMBL20148779 0.80 SMN1; SMN2 (0.53) SMN1; SMN2L3MBTL1CYP3A4CYP17A1AHR
SCHEMBL16132367 0.78 SMN1; SMN2 (0.52) SMN1; SMN2L3MBTL1CYP3A4CYP17A1AHR
SCHEMBL20362732 0.78 SMN1; SMN2 (0.52) SMN1; SMN2L3MBTL1CYP19A1AHRCHRM3
SCHEMBL16231358 0.78 SMN1; SMN2 (0.52) SMN1; SMN2L3MBTL1CYP19A1AHRCHRM3
SCHEMBL20148793 0.77 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1CYP3A4CYP17A1AHR
SCHEMBL16132423 0.76 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1CYP3A4CYP17A1AHR
SCHEMBL16230705 0.75 CYP19A1 (0.49) SMN1; SMN2L3MBTL1CYP19A1AHRCHRM3
SCHEMBL21308429 0.74 SMN1; SMN2 (0.45) SMN1; SMN2L3MBTL1CYP19A1AHRBLM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180133212-A1 COMBINATION OF A BCL-2 INHIBITOR AND A BROMODOMAIN INHIBITOR FOR TREATING CANCER GILEAD SCIENCES, INC. 2018-05-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180133212-A1 COMBINATION OF A BCL-2 INHIBITOR AND A BROMODOMAIN INHIBITOR FOR TREATING CANCER BCL2, BAK1, BRD4 SMN1; SMN2 3797/4885L3MBTL1 1270/4885CYP19A1 4197/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.